Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 13 results

Search term: XSXCZNVKFKNLPR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4514501

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/b12-6-
C10H12N4O3236.227366661126
4510105

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/b12-6+
C10H12N4O3236.2273305500
4586029

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)
C10H12N4O3236.2273191800
34987543

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/b12-6-/t9-/m0/s1
C10H12N4O3236.22733500
34987542

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/b12-6-/t9-/m1/s1
C10H12N4O3236.22732300
4537949

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/b12-6+/t9-/m1/s1
C10H12N4O3236.22732100
60498428

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/b12-6+/t9-/m0/s1
C10H12N4O3236.22732200
107434247

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/b12-6-/i1D3
C10H9D3N4O3239.24582200
111127102

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/b12-6+/i1D3
C10H9D3N4O3239.24581100
10571139

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/b12-6-/i2D,3D,9D
C10H9D3N4O3239.24581100
57530750

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/t9-/m0/s1
C10H12N4O3236.22731200
57530751

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/t9-/m1/s1
C10H12N4O3236.22731100

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